2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

C15H16F3N3OS — CID 120620294

IUPAC2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CCN)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3OS/c1-9(10-2-4-11(5-3-10)15(16,17)18)20-14(22)12-8-23-13(21-12)6-7-19/h2-5,8-9H,6-7,19H2,1H3,(H,20,22)
InChIKeyQZEIJEDTUKZPNK-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.15
Rot. Bonds5

About 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 120620294) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID120620294
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC Name2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(NC(=O)c1csc(CCN)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3OS/c1-9(10-2-4-11(5-3-10)15(16,17)18)20-14(22)12-8-23-13(21-12)6-7-19/h2-5,8-9H,6-7,19H2,1H3,(H,20,22)
InChIKeyQZEIJEDTUKZPNK-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81356924
2-(2-aminoethyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81368658
2-(2-aminoethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621962
2-(2-aminoethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81371818
2-(2-aminoethyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618402
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 116585554
2-(2-aminoethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 120621971
2-(2-aminoethyl)-N-[1-[4-[2-(cyclopropylamino)-2-oxoethoxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622062
2-(2-aminoethyl)-N-[1-(2,5-difluorophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66389448
2-(aminomethyl)-N-[(1R)-1-(4-bromophenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81359342
2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374744
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 120620294) is 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is CC(NC(=O)c1csc(CCN)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is QZEIJEDTUKZPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c1-9(10-2-4-11(5-3-10)15(16,17)18)20-14(22)12-8-23-13(21-12)6-7-19/h2-5,8-9H,6-7,19H2,1H3,(H,20,22).
What are the key properties of 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120620294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).